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88963-79-5 | Benzenesulfonyl chloride, 4-[(phenylsulfonyl)amino]-
CAS No: 88963-79-5 Catalog No: AG0045YM MDL No:
Product Description
Catalog Number:
AG0045YM
Chemical Name:
Benzenesulfonyl chloride, 4-[(phenylsulfonyl)amino]-
CAS Number:
88963-79-5
Molecular Formula:
C12H10ClNO4S2
Molecular Weight:
331.7951
IUPAC Name:
4-(benzenesulfonamido)benzenesulfonyl chloride
InChI:
InChI=1S/C12H10ClNO4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H
InChI Key:
ZYVPEUFBIDRRLS-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Nc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.974g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.785g/mol
Monoisotopic Mass:
330.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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